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Target
Cytochrome P450 1A2
Ligand
BDBM319585
Substrate
n/a
Meas. Tech.
ChEMBL_2022220 (CHEMBL4676033)
IC50
>100000±n/a nM
Citation
 Futatsugi, K; Smith, AC; Tu, M; Raymer, B; Ahn, K; Coffey, SB; Dowling, MS; Fernando, DP; Gutierrez, JA; Huard, K; Jasti, J; Kalgutkar, AS; Knafels, JD; Pandit, J; Parris, KD; Perez, S; Pfefferkorn, JA; Price, DA; Ryder, T; Shavnya, A; Stock, IA; Tsai, AS; Tesz, GJ; Thuma, BA; Weng, Y; Wisniewska, HM; Xing, G; Zhou, J; Magee, TV Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J Med Chem 63:13546-13560 (2020) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM319585
Synonyms:
US10174007, Example 4 | US10787438, Example 4 | US10988463, Example 4 | US11634410, Example 4
Type:
Small organic molecule
Emp. Form.:
C16H19F3N4O2
Mol. Mass.:
356.3429
SMILES:
C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
Structure:
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